SCHEMBL4958482

SCHEMBL4958482

CCOP(=O)(CO)OCC.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.61
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL246097 0.97 PPARD (0.64) PPARDTSHRTP53TDP1CA12
Alcohol SCHEMBL8622822 0.94 PPARD (0.61) PPARDTSHRTP53TDP1CA12
SCHEMBL2483283 0.85 PPARD (0.52) PPARDTSHRTP53TDP1CA12
SCHEMBL11588163 0.85 PPARD (0.52) PPARDTSHRTP53TDP1CA12
SCHEMBL2480106 0.84
SCHEMBL22498341 0.82 CYP3A4 (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL2482314 0.79 PPARD (0.50) PPARDTSHRTP53TDP1GAA
SCHEMBL28492909 0.77 TSHR (0.94) PPARDTSHRTP53TDP1MEN1
SCHEMBL9654507 0.77 TSHR (0.63) PPARDTSHRTP53TDP1MEN1
SCHEMBL2477131 0.76 PPARD (0.41) PPARDTSHRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
CN-101125864-A Heteroaromatic inhibitor for fructose-1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2008-02-20 CN disclosed
CN-100349904-C Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2007-11-21 CN disclosed
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
CN-1900087-A Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2007-01-24 CN disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
CN-1704423-A Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2005-12-07 CN disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
CN-1215076-C Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2005-08-17 CN disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
CN-1326459-A Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2001-12-12 CN disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 PPARD 4144/4885TSHR 451/4885TP53 3973/4885
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 PPARD 2328/4885TSHR 3795/4885TP53 4407/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK PPARD 3211/4885TSHR 257/4885TP53 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.